| SpectraBase Compound ID | 43S8koSacDF |
|---|---|
| InChI | InChI=1S/C9H9ClO/c1-7(11)9(10)8-5-3-2-4-6-8/h2-6,9H,1H3 |
| InChIKey | KFPLPFVPPOJDFF-UHFFFAOYSA-N |
| Mol Weight | 168.62 g/mol |
| Molecular Formula | C9H9ClO |
| Exact Mass | 168.034193 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5Qvgp1E2gRs |
|---|---|
| Name | 1-Chlor-1-phenylaceton |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.034192609 u |
| Formula | C9H9ClO |
| InChI | InChI=1S/C9H9ClO/c1-7(11)9(10)8-5-3-2-4-6-8/h2-6,9H,1H3 |
| InChIKey | KFPLPFVPPOJDFF-UHFFFAOYSA-N |
| SMILES | C(=O)(C(C=1C=CC=CC1)Cl)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.822222 |